SCHEMBL12315596

SCHEMBL12315596

COc1cc(C(C[18F])Sc2ccc3c(c2)C=CC(C)(C)O3)cc(C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.43
ODC1 P11926 1/20 0.40
HIF1A Q16665 8/20 0.40
EPAS1 Q99814 4/20 0.40
HSP90AA1 P07900 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12315572 0.94 COXFA4 (0.48) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL14666104 0.90 HIF1A (0.42) COXFA4HIF1AEPAS1
SCHEMBL3458345 0.84 COXFA4 (0.51) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL14665999 0.82 HIF1A (0.38) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL13071314 0.79 ALDH1A1 (0.38) COXFA4HIF1AEPAS1
SCHEMBL12338065 0.79 COXFA4 (0.48) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL3456780 0.77 COXFA4 (0.43) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL12315598 0.77 COXFA4 (0.52) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL14666128 0.76 COXFA4 (0.58) COXFA4ODC1HIF1AEPAS1HSP90AA1
SCHEMBL12315465 0.76 HIF1A (0.35) HIF1AEPAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed